CID 3079722

126335-09-9

Structural Information

Molecular Formula
C16H10F2N2O3
SMILES
CC1=C(C(=C2C(=N1)COC2=O)C3=CC=CC=C3OC(F)F)C#N
InChI
InChI=1S/C16H10F2N2O3/c1-8-10(6-19)13(14-11(20-8)7-22-15(14)21)9-4-2-3-5-12(9)23-16(17)18/h2-5,16H,7H2,1H3
InChIKey
MGLSVVFTWODJSS-UHFFFAOYSA-N
Compound name
4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06595 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07323 173.8
[M+Na]+ 339.05517 185.7
[M+NH4]+ 334.09977 176.3
[M+K]+ 355.02911 177.7
[M-H]- 315.05867 167.2
[M+Na-2H]- 337.04062 174.7
[M]+ 316.06540 172.7
[M]- 316.06650 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.